1NVJ

Deletion Mutant (Delta 141) of Molybdopterin Synthase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X25
Synchrotron site	NSLS
Beamline	X25
Temperature [K]	100
Detector technology	CCD
Collection date	2002-08
Detector	ADSC QUANTUM 4
Wavelength(s)	1.1
Spacegroup name	C 2 2 21
Unit cell lengths	104.128, 127.832, 138.118
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.140 - 2.150
R-factor	0.17901
Rwork	0.177
R-free	0.22700 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1fm0
RMSD bond length	0.013
RMSD bond angle	1.350 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC (5.1.24)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000 *
High resolution limit [Å]	2.150	2.150
Rmerge	0.063	0.367
Total number of observations	167567 *
Number of reflections	47232
<I/σ(I)>	17.9	1.7
Completeness [%]	92.7	73.1
Redundancy	3.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	7.5	295	15% PEG 4000, 10% Isopropanol and 0.1 M Tris, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	sodium formate	600 (mM)
2	1	reservoir	PEG4000	15 (%)
3	1	reservoir	isopropanol	10 (%)
4	1	reservoir	Tris	100 (mM)	pH7.5
5	1	drop	protein	20 (mg/ml)