9VDF

The crystal structure of IDH1

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NFPSS BEAMLINE BL19U1
Synchrotron site	NFPSS
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-11-21
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9793
Spacegroup name	C 1 2 1
Unit cell lengths	100.288, 108.581, 100.772
Unit cell angles	90.00, 95.32, 90.00

Refinement procedure

Resolution	73.500 - 1.900
R-factor	0.1856
Rwork	0.185
R-free	0.22080
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.982
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.19.2_4158: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.340	1.940
High resolution limit [Å]	1.900	1.900
Rmerge	0.134	0.546
Rmeas	0.149	0.607
Rpim	0.064	0.261
Total number of observations	410378	23453
Number of reflections	83425	4595
<I/σ(I)>	11.3	2.9
Completeness [%]	98.8
Redundancy	4.9	5.1
CC(1/2)	0.996	0.583

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION		277	0.2 M Li2SO4, 1M HEPES (pH7.4), and 20% PEG6000