5MDH

CRYSTAL STRUCTURE OF TERNARY COMPLEX OF PORCINE CYTOPLASMIC MALATE DEHYDROGENASE ALPHA-KETOMALONATE AND TNAD AT 2.4 ANGSTROMS RESOLUTION

Experimental procedure

Source type	SYNCHROTRON
Source details	SRS BEAMLINE PX7.2
Synchrotron site	SRS
Beamline	PX7.2
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1996-08
Detector	MARRESEARCH
Spacegroup name	P 21 21 2
格子定数 [Å]	85.700, 144.432, 59.226
格子定数 [度]	90.00, 90.00, 90.00

精密化法

残基	15.000 - 2.400
R因子	0.199 *
Rwork	0.199
R-free	0.25378 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4mdh
結合長の平均二乗偏差(RMSD) [Å]	0.010
結合角の平均二乗偏差(RMSD) [度]	0.034
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC

Quality characteristics

	Overall	Outer shell
分解能 [Å] (低)	15.000	2.510
分解能 [Å] (高)	2.400	2.400
Rmerge_l_obs	0.093	0.320
独立反射数	26268
<I/σ(I)>	12.34	3.72
完全性 [%]	89.3	91.6
冗長性	3.96	3.9

結晶化条件

結晶ID	方法	pH	温度	溶液条件
1	Vapor diffusion, hanging drop *	5.6		pH 5.6

文献の結晶化試薬

ID	結晶ID	溶液	試薬名	濃度 (単位) (単位)	詳細
1	1	reservoir	ammonium acetate	0.15 (mM)
2	1	reservoir	PEG4000	16 (%(v/v))