1EJI

RECOMBINANT SERINE HYDROXYMETHYLTRANSFERASE (MOUSE)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE F1
Synchrotron site	CHESS
Beamline	F1
Temperature [K]	100
Detector technology	CCD
Collection date	1999-05-07
Detector	ADSC QUANTUM 4
Spacegroup name	P 43 21 2
Unit cell lengths	142.520, 142.520, 270.900
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.100 - 2.900
R-factor	0.228
Rwork	0.271
R-free	0.27200 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	RABBIT SHMT (1CJ0) DIMER WITH 2 PLP COFACTORS. EACH MONOMER WAS MODIFIED BY: OMISSION OF RESIDUES 269-287 (IN THE HUMAN SHMT NUMBERING SCHEME; LABELED 241-250 IN THE 1CJ0 ENTRY) CONVERSION OF ALL MET RESIDUES TO SEMET AND CONVERSION TO ALANINE OF RESIDUES WHICH DIFFER BETWEEN RABBIT AND MOUSE I.E. RESIDUES 16 20 35 68 88 94 175 177 182 185 191 220 237 322 326 329 332 343 361 416 433 437-439 441-442 458 460 463 467 471 475 AND 477 IN THE HUMAN SHMT NUMBERING SCHEME.
RMSD bond length	0.008
RMSD bond angle	1.400
Data reduction software	DPS
Data scaling software	CCP4 ((SCALA))
Phasing software	AMoRE
Refinement software	CNS (0.9)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	32.100	3.060
High resolution limit [Å]	2.900	2.900
Rmerge	0.203 *
Total number of observations	1046890 *
Number of reflections	57974
<I/σ(I)>	3.4	0.3
Completeness [%]	92.8	100
Redundancy	10.6	10.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.7	295	8% PEG 8000, 6% ETHYLENE GLYCOL, 0.1 M HEPES, pH 7.7, VAPOR DIFFUSION, HANGING DROP, temperature 295.0K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	PEG8000	8 (%)
2	1	drop	ethylene glycol	6 (%)
3	1	drop	HEPES	0.1 (M)
4	1	drop	(6S)-5-formylTHF	0.200 (mM)
5	1	drop	glycine	100 (mM)
6	1	drop	protein	4 (mg/ml)