1TMM

Crystal structure of ternary complex of E.coli HPPK(W89A) with MGAMPCPP and 6-Hydroxymethylpterin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X9B
Synchrotron site	NSLS
Beamline	X9B
Temperature [K]	100
Detector technology	CCD
Collection date	2000-10-02
Detector	ADSC QUANTUM 4
Spacegroup name	P 1 21 1
Unit cell lengths	47.992, 47.392, 71.438
Unit cell angles	90.00, 104.13, 90.00

Refinement procedure

Resolution	30.000 - 1.250
R-factor	0.132
R-free	0.16400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB 1Q0N
RMSD bond length	0.012
RMSD bond angle	0.029
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.290
High resolution limit [Å]	1.250	1.250
Rmerge	0.078	0.602
Number of reflections	85986
<I/σ(I)>	16.8	2
Completeness [%]	99.8	99.3
Redundancy	4.037	3.47

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		4.6	292	PEG4000, MAGNESIUM CHLORIDE, ACETATE, GLYCEROL, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 292.0K, pH 4.60